1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine

C15H23ClN2 — CID 54965482

IUPAC1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(C(C)c2ccccc2Cl)C1
InChIInChI=1S/C15H23ClN2/c1-3-9-17-13-8-10-18(11-13)12(2)14-6-4-5-7-15(14)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyFQZZXMXOLRQNGM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds5

About 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine

1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 54965482) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID54965482
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(C(C)c2ccccc2Cl)C1
InChIInChI=1S/C15H23ClN2/c1-3-9-17-13-8-10-18(11-13)12(2)14-6-4-5-7-15(14)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyFQZZXMXOLRQNGM-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114763258
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 43315030
1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 60861960
N-propyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-3-amine
CID 54962549
1-[1-(2-chlorophenyl)ethyl]-3-propyl-1,4-diazepane
CID 64943637
3-[1-[1-(2-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81047875
1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine
CID 86875750
[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate
CID 90971146
1-hexan-3-yl-N-propylpyrrolidin-3-amine
CID 62119500
3-(2-chlorophenyl)-N-propylbutan-1-amine
CID 81019163
(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine
CID 95339246

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine (CID 54965482) is 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine is CCCNC1CCN(C(C)c2ccccc2Cl)C1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is FQZZXMXOLRQNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-9-17-13-8-10-18(11-13)12(2)14-6-4-5-7-15(14)16/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 54965482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).